3-(3,4-dimethoxyphenyl)sulfonyl-5-(3-phenoxyphenyl)pentanoic acid

Systemtic Name: 3-(3,4-dimethoxyphenyl)sulfonyl-5-(3-phenoxyphenyl)pentanoic acid Openeye Name: 3-(3,4-dimethoxyphenyl)sulfonyl-5-(3-phenoxyphenyl)pentanoic acid CAS Name: 3-(3,4-dimethoxyphenyl)sulfonyl-5-(3-phenoxyphenyl)pentanoic acid IUPAC Name: 3-(3,4-dimethoxyphenyl)sulfonyl-5-(3-phenoxyphenyl)pentanoic acid Traditional Name: 3-(3,4-dimethoxyphenyl)sulfonyl-5-(3-phenoxyphenyl)valeric acid Formula: C25H26O7S MolecularWeight: 470.53474

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)S(=O)(=O)C(CCC2=CC(=CC=C2)OC3=CC=CC=C3)CC(=O)O)OC

Isomeric SMILES

COC1=C(C=C(C=C1)S(=O)(=O)C(CCC2=CC(=CC=C2)OC3=CC=CC=C3)CC(=O)O)OC

InChI

InChI=1S/C25H26O7S/c1-30-23-14-13-21(16-24(23)31-2)33(28,29)22(17-25(26)27)12-11-18-7-6-10-20(15-18)32-19-8-4-3-5-9-19/h3-10,13-16,22H,11-12,17H2,1-2H3,(H,26,27)